108 Lattice="12.039530982734895 0.0 0.0 0.0 12.039530982734895 0.0 0.0 0.0 12.039530982734895" Properties=species:S:1:pos:R:3:forces:R:3 energy=-735.9040340563823 stress="-3.828083723654464 -0.8442423032630191 2.6778188051304728 -0.8442423032630191 -3.971482317026365 -0.08248051751520968 2.6778188051304728 -0.08248051751520968 -3.6227995917800033" pbc="F F F" Ta -0.03702197 0.02323499 -0.02200009 0.62216914 0.56752031 0.64138488 Ta 1.96855453 1.99669186 -0.03165523 0.45811441 0.05846111 -0.00149128 Ta 1.97037159 -0.00081267 2.05322096 0.31465813 -0.23860715 -0.20211903 Ta -0.00433733 1.97965230 1.99525233 -0.25535481 0.42867918 0.21111256 Ta 3.99077498 -0.02598853 0.01174483 -0.14267113 0.31911541 0.35456996 Ta 5.98370354 1.98503415 0.00137053 0.23679601 0.17122825 -0.39077528 Ta 6.07366010 -0.02045606 1.99299868 -0.05672773 -0.31984616 0.37814665 Ta 4.02680332 2.02743904 2.02256943 -0.35295862 -0.52603474 -0.43129533 Ta 8.03102514 0.00755389 -0.01018068 -0.32023947 0.22650837 0.19349268 Ta 9.99829020 2.01196069 -0.02379513 -0.12287942 0.34935300 0.28910847 Ta 10.03573463 -0.01200623 2.03540312 -0.43764784 0.43004044 0.23549338 Ta 8.00463842 2.03211182 1.94726859 0.23466502 -0.35036849 0.31424979 Ta -0.01085063 3.98825166 -0.01090446 0.16128370 -0.01553708 0.23936789 Ta 1.96942559 6.06350718 0.01217108 0.38086064 -0.08806816 -0.42088581 Ta 1.99232419 4.02671053 1.97330671 -0.23364451 -0.21556979 -0.11212545 Ta 0.01820849 6.05155476 2.00746972 -0.51937789 -0.14079404 0.07237713 Ta 4.02212608 3.98098733 0.01804042 -0.34595551 0.17059674 -0.68304291 Ta 6.01431431 6.01685183 0.03329949 0.20679641 0.21982210 -0.53160749 Ta 5.98051741 4.02659855 1.99187457 0.41929615 -0.11216033 -0.22708624 Ta 3.99214661 5.99477353 2.04089510 -0.28283549 0.29737982 -0.51295430 Ta 8.03521313 4.01482296 0.00579999 -0.31097288 -0.02658146 -0.39891456 Ta 10.05538814 5.99688955 0.02491170 -0.16968992 0.02059095 0.24494114 Ta 10.04686746 3.97790849 2.03462523 0.40218062 -0.20775851 0.09300741 Ta 8.08073208 5.99282020 2.02615508 -0.24127390 0.28134457 -0.37182635 Ta -0.00142023 8.03184623 -0.00060639 0.24924021 -0.21150665 0.37037558 Ta 2.01465983 10.02941485 -0.01729453 0.41295048 -0.42115686 0.38067463 Ta 2.00703691 8.03044252 2.04453231 0.00388634 0.37015071 -0.42333179 Ta -0.00903571 10.06542801 2.00129568 0.38852467 -0.39325475 0.40278224 Ta 4.01008044 8.00448119 0.01376063 -0.11958218 -0.10203774 -0.25661490 Ta 5.99059247 10.02408468 -0.01882979 0.27690500 -0.31731759 0.20198462 Ta 6.03290861 8.01458615 2.03967898 0.15188295 0.28909271 -0.49105778 Ta 4.03936405 10.07305149 1.96659272 -0.14714684 0.12663081 0.41147299 Ta 8.06313337 8.03916288 -0.00641173 -0.38819832 -0.35045130 -0.12426345 Ta 10.00591836 10.06160834 0.02510815 -0.46410648 -0.54330981 0.58585195 Ta 10.02043820 8.00864619 2.02977518 0.27118548 -0.06378023 0.10545297 Ta 8.03844495 10.01956533 2.01558429 -0.45015392 0.29692299 0.18343559 Ta -0.02594805 0.04005294 3.98556493 0.14252369 0.14952491 0.17168344 Ta 2.02918306 2.00900357 3.98060533 -0.52812796 -0.17135668 -0.14156002 Ta 1.97892263 0.02956060 6.04619730 0.12856845 -0.45633569 -0.23796405 Ta 0.01425605 2.04102742 5.98765384 -0.23938828 0.12320947 0.36260534 Ta 4.00518871 0.03936732 4.03961711 -0.11240142 -0.74803409 -0.31539604 Ta 6.00679732 2.01064399 3.98289493 0.38210715 -0.44218384 -0.02196538 Ta 5.98639139 -0.00728825 5.98667376 0.18400328 -0.34123813 0.22145742 Ta 3.94682939 2.01029417 5.99012264 0.14881124 -0.28959568 0.39887002 Ta 8.06187543 -0.02955625 4.05266368 -0.42446869 -0.26563099 -0.21328675 Ta 9.99675721 1.96986016 4.03254580 0.43144929 0.42791606 -0.26987077 Ta 10.07273417 0.01692824 6.01947437 -0.09320869 0.02059770 0.13843682 Ta 8.06529542 1.98432191 6.00597389 -0.23114303 -0.19390364 0.28246565 Ta 0.02225726 4.00756836 4.02258520 -0.54713480 -0.10710228 -0.34635607 Ta 1.94012055 6.06567715 4.03597874 0.20600902 -0.12547263 -0.25925436 Ta 2.00583361 4.02488245 6.03341384 -0.26779593 -0.30434531 0.24519745 Ta 0.03479248 5.99989583 6.01258699 -0.82092409 0.17858554 0.19282628 Ta 3.99660434 4.02905540 4.03861527 -0.29081716 -0.15860684 -0.35029383 Ta 6.01970799 6.01466072 4.04803023 0.36013268 0.18717888 -0.56706877 Ta 5.98149851 4.01804697 6.02398167 0.44788328 -0.53077875 0.29578179 Ta 4.04444397 6.02737528 6.03192656 -0.49397557 0.06416868 0.25133539 Ta 7.99056761 4.01072943 4.01189289 0.41457185 -0.43664850 -0.18822859 Ta 9.99293955 5.98266297 3.98323806 0.65760031 0.39421712 0.11634768 Ta 9.99937248 4.02962207 6.00270612 0.70758118 -0.23999138 0.08662233 Ta 7.99446696 6.01003254 5.98882057 0.54666847 0.34932943 0.44410211 Ta -0.00022564 8.01330196 3.98215300 -0.57122070 0.19405545 0.08946475 Ta 2.03433459 10.02369537 4.00176588 0.17734669 0.33126195 -0.16775833 Ta 2.00143548 8.04021672 6.00938383 -0.20304937 0.28421968 0.20685346 Ta 0.03811500 10.06949447 6.00694862 0.22496013 -0.29118641 0.11620042 Ta 4.04610825 7.99223704 4.04067653 -0.31622631 0.68971212 -0.33522660 Ta 5.99561995 10.05513696 4.05087747 0.03917770 0.49265448 -0.24086697 Ta 5.99577083 8.03611223 6.05650804 0.36364514 0.36645715 0.10859626 Ta 3.99672589 10.06593122 6.02369156 -0.12820297 0.45579445 0.15897598 Ta 8.00255153 8.07086782 4.04172348 0.19382590 -0.13445430 -0.26162473 Ta 10.02577559 9.98650004 4.02711320 -0.06580867 0.06830398 -0.16837968 Ta 10.00766926 8.05500927 6.01548233 0.53384610 -0.60165632 0.08924195 Ta 8.00732805 9.99309583 6.02520897 -0.10383637 0.73561393 0.21150574 Ta 0.00558044 0.00145764 7.99716688 0.26826759 0.33468910 -0.22137890 Ta 2.04275150 1.96910720 8.08861607 -0.58677789 0.24842957 -0.26181704 Ta 2.03831559 0.01874128 10.03240690 0.25058079 0.14547353 -0.17858624 Ta 0.01288144 2.02810292 10.01790827 0.15053664 0.27031308 -0.23642551 Ta 3.98221891 0.02820823 7.99526694 0.19403068 -0.56860697 -0.16626296 Ta 6.02112859 1.99789987 8.04478978 0.21402773 -0.30543706 -0.09941762 Ta 6.01098176 -0.02673074 10.03396833 0.03802089 0.15368204 -0.25357752 Ta 4.04471574 1.98347633 10.00223259 0.01693150 0.32577247 0.67543527 Ta 8.01169725 -0.02979682 8.00620260 -0.13170564 -0.16465222 -0.19583199 Ta 9.99837845 1.97144199 8.03380208 0.33552687 0.26732248 -0.20663122 Ta 10.04826745 0.00063782 10.05489635 -0.70010537 0.64485770 -0.64016252 Ta 8.00469056 2.00548967 10.02786871 -0.17285892 0.02194441 0.24759675 Ta 0.01668174 4.04985013 8.04102300 -0.33776456 -0.27068907 -0.25723723 Ta 2.00811244 6.03313274 8.00652435 -0.13507538 0.20032860 0.44186858 Ta 2.00422112 3.99058865 10.03626329 0.28795243 0.05227475 0.35217436 Ta 0.00748275 6.01501056 10.03502949 0.25092428 0.09898549 -0.10694668 Ta 4.01216505 3.98541567 8.02786158 -0.21425507 -0.04723907 0.37488818 Ta 6.04910753 6.00514844 8.05745516 0.12575280 0.11967873 0.09712111 Ta 6.04676196 4.02166474 10.03084865 0.02549097 -0.11759561 0.50000386 Ta 4.01309394 6.01086848 10.03033545 -0.11883051 -0.03903293 0.41870039 Ta 8.05203244 3.98392217 7.99150819 -0.00630031 -0.15302644 0.28250186 Ta 10.01307158 6.00463353 8.05769075 0.38184850 0.20665917 -0.43759915 Ta 10.00161388 3.98988861 10.02566648 -0.11823184 -0.19978772 -0.10234957 Ta 8.03612707 5.98139991 9.99945592 -0.18343842 0.19302533 0.53100576 Ta -0.00217326 8.00722738 8.04810833 -0.16240186 -0.12426182 -0.33509757 Ta 2.02199470 10.02874446 8.03137677 0.17605461 0.10064659 -0.15550624 Ta 2.03678103 7.99879888 10.05554045 0.20996047 -0.06221390 0.10375737 Ta 0.03567565 10.00657765 10.01731068 0.58844847 -0.54006023 -0.48501349 Ta 4.04100104 8.02521053 7.99765934 -0.41345126 0.33560047 0.54005025 Ta 5.99546971 10.05796428 8.03932827 0.18566882 0.31851410 -0.14479111 Ta 6.01415835 7.99068913 10.01648548 0.24076491 0.12040111 0.32829651 Ta 4.00570754 10.06710724 10.02813838 -0.12403660 -0.34236164 -0.20533201 Ta 8.05829965 8.04652404 7.99962659 -0.15312524 0.07816923 0.41687345 Ta 10.05428041 10.02400964 8.04135727 -0.26163184 -0.21615902 -0.43678299 Ta 10.00022616 8.02034426 10.03756127 -0.27410518 -0.35900140 -0.21288005 Ta 8.04419095 10.06936390 10.04075152 -0.52965317 -0.38021903 -0.40400601